2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one

C12H16O3 — CID 66718665

IUPAC2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
SMILESCC(O)c1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C12H16O3/c1-8(13)9-4-6-10(7-5-9)11(14)12(2,3)15/h4-8,13,15H,1-3H3
InChIKeySTCFVKUKAIVECI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.69
Rot. Bonds3

About 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one (PubChem CID 66718665) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
PubChem CID66718665
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
SMILESCC(O)c1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C12H16O3/c1-8(13)9-4-6-10(7-5-9)11(14)12(2,3)15/h4-8,13,15H,1-3H3
InChIKeySTCFVKUKAIVECI-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[4-[hydroxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;propane
CID 142964351
2-hydroxy-1-[4-[1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]propyl]phenyl]-2-methylpropan-1-one
CID 173118235
2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one
CID 69038350
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
4-(1-hydroxyethyl)benzamide
CID 22716490
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
1-[4-[(3-amino-2-hydroxypropoxy)-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 143790925
1-[4-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]propoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69039598
1-[4-[2-[2-[2-[2-[2-[2-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 87667241
[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
CID 143790931
1-[4-[2-[2-[2-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69040394

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one (CID 66718665) is 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one is CC(O)c1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one?
The InChIKey is STCFVKUKAIVECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(13)9-4-6-10(7-5-9)11(14)12(2,3)15/h4-8,13,15H,1-3H3.
What are the key properties of 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 66718665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).